| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4586724
Max Phase: Preclinical
Molecular Formula: C19H12N4O6
Molecular Weight: 392.33
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)c(-c2ccccc2O)c1
Standard InChI: InChI=1S/C19H12N4O6/c24-16-4-2-1-3-11(16)12-9-10(19(25)26)5-6-13(12)20-14-7-8-15(23(27)28)18-17(14)21-29-22-18/h1-9,20,24H,(H,25,26)
Standard InChI Key: WMOMHWQBJKWXAG-UHFFFAOYSA-N
Associated Targets(Human)
c-Myc/Max 258 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 392.33 | Molecular Weight (Monoisotopic): 392.0757 | AlogP: 3.95 | #Rotatable Bonds: 5 |
| Polar Surface Area: 151.62 | Molecular Species: ACID | HBA: 8 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.56 | CX Basic pKa: | CX LogP: 3.70 | CX LogD: 0.94 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.34 | Np Likeness Score: -0.76 |
References
| 1. (2014) Potent analogues of the c-myc inhibitor 10074-g5 with improved cell permeability, |
Source
Source(1):